3-(4-methoxyphenyl)-2-N,2-dimethyl-2-N-phenylpropane-1,2-diamine

C18H24N2O — CID 60709902

IUPAC3-(4-methoxyphenyl)-2-N,2-dimethyl-2-N-phenylpropane-1,2-diamine
SMILESCOc1ccc(CC(C)(CN)N(C)c2ccccc2)cc1
InChIInChI=1S/C18H24N2O/c1-18(14-19,20(2)16-7-5-4-6-8-16)13-15-9-11-17(21-3)12-10-15/h4-12H,13-14,19H2,1-3H3
InChIKeyFAVSVKIPVDQHQQ-UHFFFAOYSA-N
MW284.40 g/mol
LogP3.09
Rot. Bonds6

About 3-(4-methoxyphenyl)-2-N,2-dimethyl-2-N-phenylpropane-1,2-diamine

3-(4-methoxyphenyl)-2-N,2-dimethyl-2-N-phenylpropane-1,2-diamine (PubChem CID 60709902) has the molecular formula C18H24N2O and a molecular weight of 284.40 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-2-N,2-dimethyl-2-N-phenylpropane-1,2-diamine.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-2-N,2-dimethyl-2-N-phenylpropane-1,2-diamine
PubChem CID60709902
Molecular FormulaC18H24N2O
Molecular Weight284.40 g/mol
Exact Mass284.19
IUPAC Name3-(4-methoxyphenyl)-2-N,2-dimethyl-2-N-phenylpropane-1,2-diamine
SMILESCOc1ccc(CC(C)(CN)N(C)c2ccccc2)cc1
InChIInChI=1S/C18H24N2O/c1-18(14-19,20(2)16-7-5-4-6-8-16)13-15-9-11-17(21-3)12-10-15/h4-12H,13-14,19H2,1-3H3
InChIKeyFAVSVKIPVDQHQQ-UHFFFAOYSA-N
XLogP3.09
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-methoxyphenyl)-2-N,2-dimethyl-2-N-(2-methylpropyl)propane-1,2-diamine
CID 55169280
3-(4-methoxyphenyl)-2-N,2-dimethyl-2-N-(2-methylsulfanylethyl)propane-1,2-diamine
CID 112658105
2-N-cyclopentyl-3-(4-methoxyphenyl)-2-N,2-dimethylpropane-1,2-diamine
CID 63272919
2-N-(4-methoxyphenyl)-2-N,2-dimethylpropane-1,2-diamine
CID 115596113
2-N-cyclohexyl-3-(4-methoxyphenyl)-2-N,2-dimethylpropane-1,2-diamine
CID 60709719
1-(4-methoxyphenyl)-2-N',2-N'-dimethylpropane-2,2-diamine
CID 84748167
2-N-ethyl-4-(4-methoxyphenyl)-2-N,2-dimethylbutane-1,2-diamine
CID 54878009
2-N-[2-(dimethylamino)ethyl]-3-(4-methoxyphenyl)-2-methylpropane-1,2-diamine
CID 65385865
2-N-ethyl-2-N-[(4-methoxyphenyl)methyl]-2-methylbutane-1,2-diamine
CID 55139466
2,2-dimethyl-3-(4-phenoxyphenyl)propan-1-amine
CID 95464223
3-(4-fluorophenyl)-2-N,2-N,2-trimethylpropane-1,2-diamine
CID 84723193
1,2-bis(4-methoxyphenyl)propan-2-amine
CID 63273092

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-2-N,2-dimethyl-2-N-phenylpropane-1,2-diamine?
The IUPAC name of 3-(4-methoxyphenyl)-2-N,2-dimethyl-2-N-phenylpropane-1,2-diamine (CID 60709902) is 3-(4-methoxyphenyl)-2-N,2-dimethyl-2-N-phenylpropane-1,2-diamine.
What is the SMILES notation for 3-(4-methoxyphenyl)-2-N,2-dimethyl-2-N-phenylpropane-1,2-diamine?
The canonical SMILES for 3-(4-methoxyphenyl)-2-N,2-dimethyl-2-N-phenylpropane-1,2-diamine is COc1ccc(CC(C)(CN)N(C)c2ccccc2)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-2-N,2-dimethyl-2-N-phenylpropane-1,2-diamine?
The InChIKey is FAVSVKIPVDQHQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O/c1-18(14-19,20(2)16-7-5-4-6-8-16)13-15-9-11-17(21-3)12-10-15/h4-12H,13-14,19H2,1-3H3.
What are the key properties of 3-(4-methoxyphenyl)-2-N,2-dimethyl-2-N-phenylpropane-1,2-diamine?
3-(4-methoxyphenyl)-2-N,2-dimethyl-2-N-phenylpropane-1,2-diamine has a molecular weight of 284.40 g/mol, XLogP of 3.09, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-2-N,2-dimethyl-2-N-phenylpropane-1,2-diamine is sourced from PubChem (CID 60709902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).